SCHEMBL3894591

SCHEMBL3894591

O=C(OCC(O)CO)c1ccc([AsH2])cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.49
ADRB1 P08588 18/20 0.49
ADRB3 P13945 18/20 0.49
ALDH1A1 P00352 1/20 0.47
PRKCA P17252 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4983780 0.91 ADRB2 (0.55) ADRB2ADRB1ADRB3ALDH1A1PRKCA
SCHEMBL2788016 0.84 MAPT (0.58) ADRB2ADRB1ADRB3ALDH1A1PRKCA
SCHEMBL11470348 0.84 ADRB2 (0.65) ADRB2ADRB1ADRB3ALDH1A1
Lisadimate SCHEMBL62520 0.83 ADRB2 (0.66) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL29164273 0.83 ADRB2 (0.49) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL207184 0.83 ADRB2 (0.68) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL18087433 0.83 ALDH1A1 (0.51) ADRB2ADRB1ADRB3ALDH1A1PRKCA
SCHEMBL6917173 0.83 MAPT (0.53) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL1866113 0.82 ALDH1A1 (0.70) ADRB2ADRB1ADRB3ALDH1A1PRKCA
SCHEMBL3391 0.82 ALDH1A1 (0.70) ADRB2ADRB1ADRB3ALDH1A1PRKCA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635775-A4 STABLE COSMETIC EMULSION WITH POLYAMIDE COLOR ACCESS INC (US) 2009-04-29 EP disclosed
EP-1635775-A1 STABLE COSMETIC EMULSION WITH POLYAMIDE Color Access, Inc. (US) 2006-03-22 EP disclosed
WO-2005000252-A1 STABLE COSMETIC EMULSION WITH POLYAMIDE COLOR ACCESS, INC. (US) 2005-01-06 WO disclosed